6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione

C23H24N4O3 — CID 2089989

IUPAC6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H24N4O3/c1-2-26-22(29)20(19(28)15-25-13-12-17-10-6-7-11-18(17)25)21(24)27(23(26)30)14-16-8-4-3-5-9-16/h3-11H,2,12-15,24H2,1H3
InChIKeyCWZWLADUNKKPBX-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.91
Rot. Bonds6

About 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione (PubChem CID 2089989) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
PubChem CID2089989
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H24N4O3/c1-2-26-22(29)20(19(28)15-25-13-12-17-10-6-7-11-18(17)25)21(24)27(23(26)30)14-16-8-4-3-5-9-16/h3-11H,2,12-15,24H2,1H3
InChIKeyCWZWLADUNKKPBX-UHFFFAOYSA-N
XLogP1.91
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione (CID 2089989) is 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCc3ccccc32)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione?
The InChIKey is CWZWLADUNKKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-26-22(29)20(19(28)15-25-13-12-17-10-6-7-11-18(17)25)21(24)27(23(26)30)14-16-8-4-3-5-9-16/h3-11H,2,12-15,24H2,1H3.
What are the key properties of 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione has a molecular weight of 404.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(2,3-dihydroindol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 2089989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).